2-(2,2-dimethylpropyl)-6,6-dimethyl-5,7-dihydro-4H-1,3-benzoxazol-4-ol

C14H23NO2 — CID 71608805

IUPAC2-(2,2-dimethylpropyl)-6,6-dimethyl-5,7-dihydro-4H-1,3-benzoxazol-4-ol
SMILESCC(C)(C)Cc1nc2c(o1)CC(C)(C)CC2O
InChIInChI=1S/C14H23NO2/c1-13(2,3)8-11-15-12-9(16)6-14(4,5)7-10(12)17-11/h9,16H,6-8H2,1-5H3
InChIKeyTYAIGLRTJYVMMN-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.27
Rot. Bonds1

About 2-(2,2-dimethylpropyl)-6,6-dimethyl-5,7-dihydro-4H-1,3-benzoxazol-4-ol

2-(2,2-dimethylpropyl)-6,6-dimethyl-5,7-dihydro-4H-1,3-benzoxazol-4-ol (PubChem CID 71608805) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-6,6-dimethyl-5,7-dihydro-4H-1,3-benzoxazol-4-ol.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-6,6-dimethyl-5,7-dihydro-4H-1,3-benzoxazol-4-ol
PubChem CID71608805
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-(2,2-dimethylpropyl)-6,6-dimethyl-5,7-dihydro-4H-1,3-benzoxazol-4-ol
SMILESCC(C)(C)Cc1nc2c(o1)CC(C)(C)CC2O
InChIInChI=1S/C14H23NO2/c1-13(2,3)8-11-15-12-9(16)6-14(4,5)7-10(12)17-11/h9,16H,6-8H2,1-5H3
InChIKeyTYAIGLRTJYVMMN-UHFFFAOYSA-N
XLogP3.27
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-6,6-dimethyl-5,7-dihydro-4H-1,3-benzoxazol-4-ol?
The IUPAC name of 2-(2,2-dimethylpropyl)-6,6-dimethyl-5,7-dihydro-4H-1,3-benzoxazol-4-ol (CID 71608805) is 2-(2,2-dimethylpropyl)-6,6-dimethyl-5,7-dihydro-4H-1,3-benzoxazol-4-ol.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-6,6-dimethyl-5,7-dihydro-4H-1,3-benzoxazol-4-ol?
The canonical SMILES for 2-(2,2-dimethylpropyl)-6,6-dimethyl-5,7-dihydro-4H-1,3-benzoxazol-4-ol is CC(C)(C)Cc1nc2c(o1)CC(C)(C)CC2O.
What is the InChIKey of 2-(2,2-dimethylpropyl)-6,6-dimethyl-5,7-dihydro-4H-1,3-benzoxazol-4-ol?
The InChIKey is TYAIGLRTJYVMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-13(2,3)8-11-15-12-9(16)6-14(4,5)7-10(12)17-11/h9,16H,6-8H2,1-5H3.
What are the key properties of 2-(2,2-dimethylpropyl)-6,6-dimethyl-5,7-dihydro-4H-1,3-benzoxazol-4-ol?
2-(2,2-dimethylpropyl)-6,6-dimethyl-5,7-dihydro-4H-1,3-benzoxazol-4-ol has a molecular weight of 237.34 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-6,6-dimethyl-5,7-dihydro-4H-1,3-benzoxazol-4-ol is sourced from PubChem (CID 71608805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).